Chlorine in PDB 4wre: Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol

The structure of Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol, PDB code: 4wre was solved by M.J.Rynkiewicz, H.Wu, T.R.Cafarella, N.M.Nikolaidis, J.F.Head, B.A.Seaton, F.X.Mccormack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.59 / 1.75
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	66.730, 66.730, 165.891, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.2

The structure of Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol (pdb code 4wre). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol, PDB code: 4wre:

Chlorine binding site 1 out of 1 in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:16.3 occ:1.00 O A:HOH562 3.0 22.0 1.0 O A:HOH551 3.1 21.6 1.0 N A:LEU219 3.3 13.1 1.0 NE2 A:GLN220 3.4 21.9 1.0 C A:GLY217 3.5 15.3 1.0 CA A:GLY217 3.5 13.4 1.0 CB A:LEU219 3.7 14.9 1.0 N A:CYS218 3.8 14.8 1.0 CA A:LEU219 3.8 13.7 1.0 N A:GLN220 3.9 12.7 1.0 O A:GLY217 3.9 14.6 1.0 C A:LEU219 3.9 17.6 1.0 CG A:GLN220 3.9 13.3 1.0 CD A:GLN220 4.2 17.5 1.0 N A:GLY217 4.3 14.4 1.0 CG A:LEU219 4.4 15.3 1.0 C A:CYS218 4.4 16.1 1.0 O A:LEU219 4.7 19.0 1.0 CA A:CYS218 4.7 16.2 1.0 OH A:TYR166 4.7 14.3 1.0 O A:HOH561 4.7 20.2 1.0 O A:HOH587 4.8 28.2 1.0 CA A:GLN220 4.8 14.6 1.0 CB A:GLN220 4.9 15.4 1.0

M.J.Rynkiewicz, H.Wu, T.R.Cafarella, N.M.Nikolaidis, J.F.Head, B.A.Seaton, F.X.Mccormack. Differential Ligand Binding Specificities of the Pulmonary Collectins Are Determined By the Conformational Freedom of A Surface Loop To Be Published.